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Code Releases Activity
QuantumPackage/src
History
Anthony Scemama 6a56ed9eb3 Contributors
2019-03-07 15:12:02 +01:00
..
ao_basis
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
ao_one_e_ints
Warnings in documentation
2019-01-29 17:09:08 +01:00
ao_two_e_erf_ints
Warnings in documentation
2019-01-29 17:09:08 +01:00
ao_two_e_ints
Warnings in documentation
2019-01-29 17:09:08 +01:00
aux_quantities
Folder -> directory
2019-01-29 23:10:00 +01:00
becke_numerical_grid
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
bitmask
Initial commit
2019-01-25 11:39:31 +01:00
cipsi
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
cis
Warnings in documentation
2019-01-29 17:09:08 +01:00
cisd
Folder -> directory
2019-01-29 23:10:00 +01:00
davidson
Fixed energies of non-expected s2 (#9)
2019-02-22 17:59:19 +01:00
davidson_dressed
Initial commit
2019-01-25 11:39:31 +01:00
davidson_undressed
Initial commit
2019-01-25 11:39:31 +01:00
density_for_dft
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
determinants
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
dft_keywords
modif TODO
2019-02-11 15:52:49 +01:00
dft_one_e
Contributors
2019-03-07 15:12:02 +01:00
dft_utils_in_r
improved pot pbe
2019-02-11 18:39:43 +01:00
dft_utils_one_e
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
dressing
Initial commit
2019-01-25 11:39:31 +01:00
dummy
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
electrons
Initial commit
2019-01-25 11:39:31 +01:00
ezfio_files
trying to improve sr PBE
2019-02-11 19:38:31 +01:00
fci
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
functionals
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
generators_cas
Initial commit
2019-01-25 11:39:31 +01:00
generators_full
Initial commit
2019-01-25 11:39:31 +01:00
hartree_fock
Merge branch 'develop' into develop-manus
2019-02-21 09:33:21 +01:00
iterations
Comments in selection
2019-02-14 23:13:23 +01:00
kohn_sham
modif TODO
2019-02-11 15:52:49 +01:00
kohn_sham_rs
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
mo_basis
Warnings in documentation
2019-01-29 17:09:08 +01:00
mo_guess
Initial commit
2019-01-25 11:39:31 +01:00
mo_one_e_ints
Mono -> Single
2019-02-04 23:51:09 +01:00
mo_two_e_erf_ints
Initial commit
2019-01-25 11:39:31 +01:00
mo_two_e_ints
Initial commit
2019-01-25 11:39:31 +01:00
mpi
Initial commit
2019-01-25 11:39:31 +01:00
nuclei
Initial commit
2019-01-25 11:39:31 +01:00
perturbation
Added variance_max
2019-02-11 10:44:52 +01:00
pseudo
Initial commit
2019-01-25 11:39:31 +01:00
psiref_cas
Initial commit
2019-01-25 11:39:31 +01:00
psiref_utils
Initial commit
2019-01-25 11:39:31 +01:00
scf_utils
Add print_ci_vector in tools (#11)
2019-03-04 10:40:50 -06:00
selectors_cassd
Warnings in documentation
2019-01-29 17:09:08 +01:00
selectors_full
Initial commit
2019-01-25 11:39:31 +01:00
selectors_utils
Initial commit
2019-01-25 11:39:31 +01:00
single_ref_method
Initial commit
2019-01-25 11:39:31 +01:00
tools
Merge develop-toto and manus (#12)
2019-03-06 14:12:55 +01:00
utils
Initial commit
2019-01-25 11:39:31 +01:00
zmq
Fixed davidson ZMQ termination
2019-02-05 18:44:03 +01:00
README.rst
Initial commit
2019-01-25 11:39:31 +01:00

README.rst 

==========================
The core modules of the QP
==========================